Methyl prolinate hydrochloride

C6H12ClNO2CAS 2133-40-6165.62 g/mol

Open in Covalent MOL file
OOHNHCl
EsterSecondary amine

Properties

Molecular formula
C6H12ClNO2
Molar mass
165.62 g/mol
Exact mass
165.0557 Da
Melting point
71 °C
logP
0.33Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
2133-40-6
SMILES
COC(=O)[C@@H]1CCCN1.Cl
InChIKey
HQEIPVHJHZTMDP-JEDNCBNOSA-N
InChI
InChI=1S/C6H11NO2.ClH/c1-9-6(8)5-3-2-4-7-5;/h5,7H,2-4H2,1H3;1H/t5-;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • L-Proline, methyl ester, hydrochloride (1:1)
  • L-Proline, methyl ester, hydrochloride
  • Proline, methyl ester, hydrochloride, L-
  • (S)-Proline methyl ester hydrochloride
  • Methyl L-prolinate hydrochloride
  • Methyl proline hydrochloride
  • L-Proline methyl ester monohydrochloride
  • (2S)-(Methoxycarbonyl)pyrrolidine hydrochloride
  • (S)-Methyl pyrrolidine-2-carboxylate hydrochloride
  • (S)-Pyrrolidine-2-carboxylic acid methyl ester hydrochloride
  • L-Pro-OMe hydrochloride

Work with Methyl prolinate hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

D-Proline methyl ester43041-12-9Free base, enantiomer (R)-Proline methyl ester hydrochloride65365-28-8Enantiomer H-Dl-pro-ome hcl79397-50-5Stereo not defined

Similar compounds

Methyl pipecolinate41994-45-080 % similar H-D-Pro-oet hcl131477-20-866 % similar D-Proline tert-butyl ester hydrochloride184719-80-064 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-764 % similar (S)-3-Methyl piperidine carboxylate hydrochloride164323-84-657 % similar L-Proline 1,1-dimethylethyl ester2812-46-656 % similar Methyl isonipecotate hydrochloride7462-86-454 % similar Methyl Aziridine-2-carboxylate (stabilized with HQ)5950-34-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1S,2R)-(+)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128052-92-6 cis-2-Amino-1-cyclopentanecarboxylic acid hydrochloride128110-37-2 (S)-2-Methylpyrrolidine-2-carboxylic acid (hydrochloride)1508261-86-6 Methyl 3-pyrrolidinecarboxylate hcl198959-37-4 Aminoethyl methacrylate hydrochloride2420-94-2 Isonipecotic acid hydrochloride5984-56-5

Elsewhere

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